[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone

C15H20N6O3S — CID 129417782

IUPAC[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c(N3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)CC3)nccn12
InChIInChI=1S/C15H20N6O3S/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-25(23,24)10-12/h3-4,12H,2,5-10H2,1H3/t12-/m1/s1
InChIKeySFPYUVWURNOWQE-GFCCVEGCSA-N
MW364.43 g/mol
LogP-0.48
Rot. Bonds2

About [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone

[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (PubChem CID 129417782) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
PubChem CID129417782
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c(N3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)CC3)nccn12
InChIInChI=1S/C15H20N6O3S/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-25(23,24)10-12/h3-4,12H,2,5-10H2,1H3/t12-/m1/s1
InChIKeySFPYUVWURNOWQE-GFCCVEGCSA-N
XLogP-0.48
TPSA100.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
(5-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818629
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818642
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 91818614
3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605614
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 91818651

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (CID 129417782) is [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is Cc1nnc2c(N3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)CC3)nccn12.
What is the InChIKey of [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The InChIKey is SFPYUVWURNOWQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-25(23,24)10-12/h3-4,12H,2,5-10H2,1H3/t12-/m1/s1.
What are the key properties of [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone has a molecular weight of 364.43 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129417782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).